1-[4-[(2S)-3-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[4-[(2S)-3-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2S)-3-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[4-[(2S)-3-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[4-[(2S)-3-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[4-[(2S)-3-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-2-hydroxy-propoxy]phenyl]ethanone Formula: C21H26BrN2O5S+ MolecularWeight: 498.41054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br)O

InChI

InChI=1S/C21H25BrN2O5S/c1-16(25)17-5-7-20(8-6-17)29-15-19(26)14-23-9-11-24(12-10-23)30(27,28)21-4-2-3-18(22)13-21/h2-8,13,19,26H,9-12,14-15H2,1H3/p+1/t19-/m0/s1